N,N,3,4-tetramethyl-2-[2-[(S)-morpholin-2-yl(phenyl)methoxy]phenyl]pyrazolo[3,4-d]pyridazin-7-amine

C26H30N6O2 — CID 139486951

IUPACN,N,3,4-tetramethyl-2-[2-[(S)-morpholin-2-yl(phenyl)methoxy]phenyl]pyrazolo[3,4-d]pyridazin-7-amine
SMILESCc1nnc(N(C)C)c2nn(-c3ccccc3O[C@@H](c3ccccc3)C3CNCCO3)c(C)c12
InChIInChI=1S/C26H30N6O2/c1-17-23-18(2)32(30-24(23)26(29-28-17)31(3)4)20-12-8-9-13-21(20)34-25(19-10-6-5-7-11-19)22-16-27-14-15-33-22/h5-13,22,25,27H,14-16H2,1-4H3/t22?,25-/m0/s1
InChIKeyRUENEMBBBRJNBS-TUXUZCGSSA-N
MW458.57 g/mol
LogP3.61
Rot. Bonds6

About N,N,3,4-tetramethyl-2-[2-[(S)-morpholin-2-yl(phenyl)methoxy]phenyl]pyrazolo[3,4-d]pyridazin-7-amine

N,N,3,4-tetramethyl-2-[2-[(S)-morpholin-2-yl(phenyl)methoxy]phenyl]pyrazolo[3,4-d]pyridazin-7-amine (PubChem CID 139486951) has the molecular formula C26H30N6O2 and a molecular weight of 458.57 g/mol. Its IUPAC name is N,N,3,4-tetramethyl-2-[2-[(S)-morpholin-2-yl(phenyl)methoxy]phenyl]pyrazolo[3,4-d]pyridazin-7-amine.

Molecular Properties

Compound NameN,N,3,4-tetramethyl-2-[2-[(S)-morpholin-2-yl(phenyl)methoxy]phenyl]pyrazolo[3,4-d]pyridazin-7-amine
PubChem CID139486951
Molecular FormulaC26H30N6O2
Molecular Weight458.57 g/mol
Exact Mass458.24
IUPAC NameN,N,3,4-tetramethyl-2-[2-[(S)-morpholin-2-yl(phenyl)methoxy]phenyl]pyrazolo[3,4-d]pyridazin-7-amine
SMILESCc1nnc(N(C)C)c2nn(-c3ccccc3O[C@@H](c3ccccc3)C3CNCCO3)c(C)c12
InChIInChI=1S/C26H30N6O2/c1-17-23-18(2)32(30-24(23)26(29-28-17)31(3)4)20-12-8-9-13-21(20)34-25(19-10-6-5-7-11-19)22-16-27-14-15-33-22/h5-13,22,25,27H,14-16H2,1-4H3/t22?,25-/m0/s1
InChIKeyRUENEMBBBRJNBS-TUXUZCGSSA-N
XLogP3.61
TPSA77.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,N,3,4-tetramethyl-2-[2-[(S)-morpholin-2-yl(phenyl)methoxy]phenyl]pyrazolo[3,4-d]pyridazin-7-amine?
The IUPAC name of N,N,3,4-tetramethyl-2-[2-[(S)-morpholin-2-yl(phenyl)methoxy]phenyl]pyrazolo[3,4-d]pyridazin-7-amine (CID 139486951) is N,N,3,4-tetramethyl-2-[2-[(S)-morpholin-2-yl(phenyl)methoxy]phenyl]pyrazolo[3,4-d]pyridazin-7-amine.
What is the SMILES notation for N,N,3,4-tetramethyl-2-[2-[(S)-morpholin-2-yl(phenyl)methoxy]phenyl]pyrazolo[3,4-d]pyridazin-7-amine?
The canonical SMILES for N,N,3,4-tetramethyl-2-[2-[(S)-morpholin-2-yl(phenyl)methoxy]phenyl]pyrazolo[3,4-d]pyridazin-7-amine is Cc1nnc(N(C)C)c2nn(-c3ccccc3O[C@@H](c3ccccc3)C3CNCCO3)c(C)c12.
What is the InChIKey of N,N,3,4-tetramethyl-2-[2-[(S)-morpholin-2-yl(phenyl)methoxy]phenyl]pyrazolo[3,4-d]pyridazin-7-amine?
The InChIKey is RUENEMBBBRJNBS-TUXUZCGSSA-N. The full InChI is InChI=1S/C26H30N6O2/c1-17-23-18(2)32(30-24(23)26(29-28-17)31(3)4)20-12-8-9-13-21(20)34-25(19-10-6-5-7-11-19)22-16-27-14-15-33-22/h5-13,22,25,27H,14-16H2,1-4H3/t22?,25-/m0/s1.
What are the key properties of N,N,3,4-tetramethyl-2-[2-[(S)-morpholin-2-yl(phenyl)methoxy]phenyl]pyrazolo[3,4-d]pyridazin-7-amine?
N,N,3,4-tetramethyl-2-[2-[(S)-morpholin-2-yl(phenyl)methoxy]phenyl]pyrazolo[3,4-d]pyridazin-7-amine has a molecular weight of 458.57 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3,4-tetramethyl-2-[2-[(S)-morpholin-2-yl(phenyl)methoxy]phenyl]pyrazolo[3,4-d]pyridazin-7-amine is sourced from PubChem (CID 139486951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).